SCHEMBL508782

SCHEMBL508782

CC(C)N(N)C(=O)c1ccc(CNc2c(Cl)ccc3c2CCNCC3)cc1F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 14/20 0.38
HTR2A P28223 2/20 0.34
HTR2C P28335 2/20 0.34
HTR2B P41595 2/20 0.34
CISD1 Q9NZ45 1/20 0.32
EPHX2 P34913 1/20 0.32
NR1H4 Q96RI1 1/20 0.32
PDE5A O76074 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL507606 0.85 WDR5 (0.37) WDR5HTR2AHTR2CHTR2BEPHX2
Hydrochloric Acid SCHEMBL10476178 0.83 WDR5 (0.35) WDR5HTR2AHTR2CHTR2BPDE5A
SCHEMBL508106 0.83 HTR2A (0.38) WDR5HTR2AHTR2CHTR2BPDE5A
SCHEMBL10230571 0.83 WDR5 (0.36) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL507020 0.82 WDR5 (0.36) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL507021 0.82 WDR5 (0.36) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL10274906 0.82 ALDH1A1 (0.37) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL508081 0.82 PARP1 (0.40) WDR5
SCHEMBL10230576 0.82 WDR5 (0.42) WDR5HTR2AHTR2CHTR2BEPHX2
SCHEMBL10277924 0.82 WDR5 (0.35) WDR5HTR2AHTR2CHTR2BEPHX2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580780-B2 6 substituted 2, 3,4,5 tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonist ELI LILLY AND COMPANY (US) 2013-11-12 US disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist HTR2C, HTR4, HTR1A WDR5 815/4885HTR2A 4/4885HTR2C 1/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.